N-[3-[[4-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]diazenyl]-4-hydroxyphenyl]acetamide

C19H19N5O5S — CID 177378575

IUPACN-[3-[[4-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]diazenyl]-4-hydroxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(O)c(/N=N/c2ccc(S(=O)(=O)Nc3noc(C)c3C)cc2)c1
InChIInChI=1S/C19H19N5O5S/c1-11-12(2)29-23-19(11)24-30(27,28)16-7-4-14(5-8-16)21-22-17-10-15(20-13(3)25)6-9-18(17)26/h4-10,26H,1-3H3,(H,20,25)(H,23,24)/b22-21+
InChIKeyRQHAAHGGXJWXMZ-QURGRASLSA-N
MW429.46 g/mol
LogP4.17
Rot. Bonds6

About N-[3-[[4-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]diazenyl]-4-hydroxyphenyl]acetamide

N-[3-[[4-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]diazenyl]-4-hydroxyphenyl]acetamide (PubChem CID 177378575) has the molecular formula C19H19N5O5S and a molecular weight of 429.46 g/mol. Its IUPAC name is N-[3-[[4-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]diazenyl]-4-hydroxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[4-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]diazenyl]-4-hydroxyphenyl]acetamide
PubChem CID177378575
Molecular FormulaC19H19N5O5S
Molecular Weight429.46 g/mol
Exact Mass429.11
IUPAC NameN-[3-[[4-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]diazenyl]-4-hydroxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(O)c(/N=N/c2ccc(S(=O)(=O)Nc3noc(C)c3C)cc2)c1
InChIInChI=1S/C19H19N5O5S/c1-11-12(2)29-23-19(11)24-30(27,28)16-7-4-14(5-8-16)21-22-17-10-15(20-13(3)25)6-9-18(17)26/h4-10,26H,1-3H3,(H,20,25)(H,23,24)/b22-21+
InChIKeyRQHAAHGGXJWXMZ-QURGRASLSA-N
XLogP4.17
TPSA146.25 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-(diethylphosphorylamino)-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 134087504
[2-[4-[(2-hydroxy-5-methylphenyl)diazenyl]anilino]-2-oxoethyl]-trimethylazanium
CID 136707795
2-acetamido-5-[(2-hydroxy-5-methylphenyl)diazenyl]benzenesulfonic acid
CID 135764710
4-N-(1-cyanopropan-2-yl)-1-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzene-1,4-disulfonamide
CID 126835571
N-[4-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]sulfamoyl]phenyl]acetamide
CID 113051812
N-[3-bromo-4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetamide
CID 18754970
N-[3-[(4-iodophenyl)sulfonylamino]phenyl]acetamide
CID 3874122
N-[4-chloro-3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 169373284
N-[4-fluoro-3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 134040597
N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide
CID 71349024
4-acetamido-6-[(4-acetamidophenyl)diazenyl]-5-hydroxynaphthalene-2-sulfonic acid
CID 135517467
4-[(5-fluoro-2-hydroxyphenyl)diazenyl]benzenesulfonic acid
CID 136728610

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]diazenyl]-4-hydroxyphenyl]acetamide?
The IUPAC name of N-[3-[[4-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]diazenyl]-4-hydroxyphenyl]acetamide (CID 177378575) is N-[3-[[4-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]diazenyl]-4-hydroxyphenyl]acetamide.
What is the SMILES notation for N-[3-[[4-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]diazenyl]-4-hydroxyphenyl]acetamide?
The canonical SMILES for N-[3-[[4-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]diazenyl]-4-hydroxyphenyl]acetamide is CC(=O)Nc1ccc(O)c(/N=N/c2ccc(S(=O)(=O)Nc3noc(C)c3C)cc2)c1.
What is the InChIKey of N-[3-[[4-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]diazenyl]-4-hydroxyphenyl]acetamide?
The InChIKey is RQHAAHGGXJWXMZ-QURGRASLSA-N. The full InChI is InChI=1S/C19H19N5O5S/c1-11-12(2)29-23-19(11)24-30(27,28)16-7-4-14(5-8-16)21-22-17-10-15(20-13(3)25)6-9-18(17)26/h4-10,26H,1-3H3,(H,20,25)(H,23,24)/b22-21+.
What are the key properties of N-[3-[[4-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]diazenyl]-4-hydroxyphenyl]acetamide?
N-[3-[[4-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]diazenyl]-4-hydroxyphenyl]acetamide has a molecular weight of 429.46 g/mol, XLogP of 4.17, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]diazenyl]-4-hydroxyphenyl]acetamide is sourced from PubChem (CID 177378575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).